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Ligand

NameCHEMBL2018514
Molecular formulaC34H42N6O4
IUPAC name2-(1H-indazol-5-ylmethyl)-4-(2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)-1-(4-piperidin-1-ylpiperidin-1-yl)butane-1,4-dione
Molecular weight598.748
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP3.3
SynonymsSCHEMBL13052642
BDBM50380816
Inchi KeyCKYJFRMGHIKMOC-UHFFFAOYSA-N
Inchi IDInChI=1S/C34H42N6O4/c41-31(39-18-12-34(13-19-39)28-6-2-3-7-30(28)36-33(43)44-34)22-25(20-24-8-9-29-26(21-24)23-35-37-29)32(42)40-16-10-27(11-17-40)38-14-4-1-5-15-38/h2-3,6-9,21,23,25,27H,1,4-5,10-20,22H2,(H,35,37)(H,36,43)
PubChem CID24756769
ChEMBLCHEMBL2018514
IUPHARN/A
BindingDB50380816
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
44522Calcitonin gene-related peptide type 1 receptorQ16602CALCRLHomo sapiens (Human)461

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